UCSF

ZINC36869306

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 17 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.15 1.05 -55.88 3 5 1 78 256.351 3
Hi High (pH 8-9.5) -0.15 0.65 -13.41 2 5 0 76 255.343 3
Mid Mid (pH 6-8) -0.15 1.35 -118.48 4 5 2 79 257.359 3

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.